N-cyclohexyl-3-cyclopentylidene-N-methyl-2-oxo-1H-indole-5-sulfonamide

C20H26N2O3S — CID 50760076

IUPACN-cyclohexyl-3-cyclopentylidene-N-methyl-2-oxo-1H-indole-5-sulfonamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc2c(c1)C(=C1CCCC1)C(=O)N2
InChIInChI=1S/C20H26N2O3S/c1-22(15-9-3-2-4-10-15)26(24,25)16-11-12-18-17(13-16)19(20(23)21-18)14-7-5-6-8-14/h11-13,15H,2-10H2,1H3,(H,21,23)
InChIKeyGQRARORKGILUDT-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.92
Rot. Bonds3

About N-cyclohexyl-3-cyclopentylidene-N-methyl-2-oxo-1H-indole-5-sulfonamide

N-cyclohexyl-3-cyclopentylidene-N-methyl-2-oxo-1H-indole-5-sulfonamide (PubChem CID 50760076) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-cyclohexyl-3-cyclopentylidene-N-methyl-2-oxo-1H-indole-5-sulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-3-cyclopentylidene-N-methyl-2-oxo-1H-indole-5-sulfonamide
PubChem CID50760076
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC NameN-cyclohexyl-3-cyclopentylidene-N-methyl-2-oxo-1H-indole-5-sulfonamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc2c(c1)C(=C1CCCC1)C(=O)N2
InChIInChI=1S/C20H26N2O3S/c1-22(15-9-3-2-4-10-15)26(24,25)16-11-12-18-17(13-16)19(20(23)21-18)14-7-5-6-8-14/h11-13,15H,2-10H2,1H3,(H,21,23)
InChIKeyGQRARORKGILUDT-UHFFFAOYSA-N
XLogP3.92
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-cyclopentylidene-N-methyl-2-oxo-1H-indole-5-sulfonamide?
The IUPAC name of N-cyclohexyl-3-cyclopentylidene-N-methyl-2-oxo-1H-indole-5-sulfonamide (CID 50760076) is N-cyclohexyl-3-cyclopentylidene-N-methyl-2-oxo-1H-indole-5-sulfonamide.
What is the SMILES notation for N-cyclohexyl-3-cyclopentylidene-N-methyl-2-oxo-1H-indole-5-sulfonamide?
The canonical SMILES for N-cyclohexyl-3-cyclopentylidene-N-methyl-2-oxo-1H-indole-5-sulfonamide is CN(C1CCCCC1)S(=O)(=O)c1ccc2c(c1)C(=C1CCCC1)C(=O)N2.
What is the InChIKey of N-cyclohexyl-3-cyclopentylidene-N-methyl-2-oxo-1H-indole-5-sulfonamide?
The InChIKey is GQRARORKGILUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-22(15-9-3-2-4-10-15)26(24,25)16-11-12-18-17(13-16)19(20(23)21-18)14-7-5-6-8-14/h11-13,15H,2-10H2,1H3,(H,21,23).
What are the key properties of N-cyclohexyl-3-cyclopentylidene-N-methyl-2-oxo-1H-indole-5-sulfonamide?
N-cyclohexyl-3-cyclopentylidene-N-methyl-2-oxo-1H-indole-5-sulfonamide has a molecular weight of 374.51 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-cyclopentylidene-N-methyl-2-oxo-1H-indole-5-sulfonamide is sourced from PubChem (CID 50760076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).